SCHEMBL8925237

SCHEMBL8925237

CS(=O)(=O)c1ccc(-c2[nH]nc(C(F)(F)F)c2-c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.54
PTGS1 P23219 7/20 0.53
MAP2K4 P45985 1/20 0.42
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
TRPV1 Q8NER1 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8925463 0.83 MAP2K4 (0.43) PTGS2PTGS1MAP2K4
SCHEMBL8925263 0.81 PTGS2 (0.51) PTGS2PTGS1CA12CA2CA9
SCHEMBL6180483 0.78 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL8766048 0.78 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL5078441 0.78 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL4212020 0.77 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL8073634 0.77 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL7088302 0.75 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL8926255 0.74 PSD (0.47) PTGS2CA12CA2CA9
SCHEMBL8925320 0.74 PTGS2 (0.47) PTGS2PTGS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5670533-A ANTIINFLAMMATORY AGENTS, ANALGESICS OR ANTIRHEUMATIC DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-23 US disclosed